Threonine

Threonine

SCHEMBL4493263

C[C@@H](O)[C@H](N)C(=O)O.C[C@@H](OC(=O)[C@@H](N)CS)[C@H](N)C(=O)O

nearest known ligand 0.42

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
SLC7A11 Q9UPY5 1/20 0.42
ENPEP Q07075 4/20 0.36
SLC7A5 Q01650 2/20 0.35
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
P2RY10 O00398 2/20 0.31
GPR174 Q9BXC1 2/20 0.31
CASR P41180 1/20 0.31
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1497690 0.93 PTGS1 (0.48) PTGS1SLC7A11ENPEPSLC7A5SLC1A3
SCHEMBL2702062 0.82 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1P2RY10
Threonine SCHEMBL16982372 0.81 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1P2RY10
SCHEMBL18050156 0.81 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1P2RY10
SCHEMBL6038226 0.81 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1P2RY10
SCHEMBL288383 0.81 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1P2RY10
Threonine SCHEMBL4493265 0.81 PTGS1 (0.67) PTGS1SLC7A11ENPEPSLC7A5SLC1A3
Threonine SCHEMBL971052 0.81 PTGS1 (0.67) PTGS1SLC7A11ENPEPSLC7A5SLC1A3
Threonine SCHEMBL971053 0.81 PTGS1 (0.67) PTGS1SLC7A11ENPEPSLC7A5SLC1A3
Threonine SCHEMBL27769582 0.81 PTGS1 (0.67) PTGS1SLC7A11ENPEPSLC7A5SLC1A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed
EP-1735453-A2 FLUORESCENT SIGNAL EMITTING LIVE CELL BIOSENSOR MOLECULES AND DYES FOR DETECTION AND QUANTIFICATION OF PROTEIN ACTIVITIES The Scripps Research Institute (US) 2006-12-27 EP disclosed
US-20060029946-A1 Live cell biosensors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-09 US disclosed
WO-2005088308-A2 FLUORESCENT SIGNAL EMITTING LIVE CELL BIOSENSOR MOLECULES AND DYES FOR DETECTION AND QUANTIFICATION OF PROTEIN ACTIVITIES THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-22 WO disclosed